2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid

C16H17NO4 — CID 82143396

IUPAC2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid
SMILESCC(C)(C(=O)O)n1cccc(OCc2ccccc2)c1=O
InChIInChI=1S/C16H17NO4/c1-16(2,15(19)20)17-10-6-9-13(14(17)18)21-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyIZAJZEGGEVBLGB-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.25
Rot. Bonds5

About 2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid

2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid (PubChem CID 82143396) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid
PubChem CID82143396
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid
SMILESCC(C)(C(=O)O)n1cccc(OCc2ccccc2)c1=O
InChIInChI=1S/C16H17NO4/c1-16(2,15(19)20)17-10-6-9-13(14(17)18)21-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyIZAJZEGGEVBLGB-UHFFFAOYSA-N
XLogP2.25
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid
CID 94745934
2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetaldehyde
CID 135229192
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177
tert-butyl 2-oxo-1-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate
CID 67658914
N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide
CID 18941618
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid
CID 82152071
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one
CID 68510398

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid (CID 82143396) is 2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid is CC(C)(C(=O)O)n1cccc(OCc2ccccc2)c1=O.
What is the InChIKey of 2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid?
The InChIKey is IZAJZEGGEVBLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-16(2,15(19)20)17-10-6-9-13(14(17)18)21-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid?
2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid has a molecular weight of 287.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid is sourced from PubChem (CID 82143396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).